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CHEBI:209719 - (E)-7-(3-methyl-4-oxo-6,7,8,8a-tetrahydro-4H-pyrrolo[2,1-b][1,3]oxazin-2-yl)hept-2-enoic acid

ChEBI IDCHEBI:209719
ChEBI Name(E)-7-(3-methyl-4-oxo-6,7,8,8a-tetrahydro-4H-pyrrolo[2,1-b][1,3]oxazin-2-yl)hept-2-enoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H21NO4
Net Charge0
Average Mass279.336
Monoisotopic Mass279.14706
SMILESCC1=C(CCCC/C=C/C(=O)O)O[C@H]2CCCN2C1=O
InChIInChI=1S/C15H21NO4/c1-11-12(7-4-2-3-5-9-14(17)18)20-13-8-6-10-16(13)15(11)19/h5,9,13H,2-4,6-8,10H2,1H3,(H,17,18)/b9-5+/t13-/m0/s1
InChIKeyVAXDOPFIFJJTAB-NEXMIYJRSA-N
Species of MetaboliteComponentSourceComments
Penicillium citrinum (ncbitaxon:5077) - PubMed (23999155)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(E)-7-(3-methyl-4-oxo-6,7,8,8a-tetrahydro-4H-pyrrolo[2,1-b][1,3]oxazin-2-yl)hept-2-enoic acid (CHEBI:209719) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name 
(E)-7-(3-methyl-4-oxo-6,7,8,8a-tetrahydropyrrolo[2,1-b][1,3]oxazin-2-yl)hept-2-enoic acid
Manual XrefsDatabases
78436044ChemSpider